Structure and Dynamics of Atoms and Molecules : Conceptual Trends
A companion volume to "Conceptual Trends in Quantum Chemistry", this work contains eight contributions focusing on important conceptual trends in atomic and molecular theory. The "polarization" between ab initio and semi-empirical methods is thoroughly analyzed in two of the articles, which also provide bridges between such procedures. Hydrogen-transfer theory and electron delocalization are treated in two further papers. Explicitly time-dependent descriptions of intermolecular dynamics, which constitute a characteristic trend in current research, are represented by an article about the quantum dynamics of diatoms in external fields. A view of certain atomic excited states is presented in a paper on collective and independent particle character, and a new theoretical tool is surveyed in an article on dimensional scaling. The final article analyzes density functional theory.
- Hardback | 288 pages
- 171.45 x 240 x 19.05mm | 635.03g
- 01 May 1995
- Kluwer Academic Publishers
- Dordrecht, Netherlands, United States
Table of contents
Elements of hydrogen-transfer theory, R. Lefebvre; building a bridge between ab initio and semi-empirical theories of molecular electronic structure, K.F. Freed; electron delocalization in the theory of intermolecular and intergroup interactions - cause, effect, prevention, W.H. Adams; quantum dynamics of diatoms in external fields, J. Broeckhove et al; dimensional scaling in quantum theory, J. Avery; probing the collective and independent-particle - some character of atomic electrons, R.S. Berry; electronic structure models - computations, chemical insights and appropriateness, M.A. Ratner; the work formalism - a new theory of electronic structure, V. Sahni.